SCHEMBL23425810

SCHEMBL23425810

CC(C)C1CCCN(c2ccc([N+](=O)[O-])nc2)C1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.63
▸ RAB9A P51151 1/20 0.56
▸ CHRNB2 P17787 3/20 0.54
▸ CHRNA4 P43681 3/20 0.54
▸ CHRNB4 P30926 2/20 0.54
▸ CHRNA3 P32297 2/20 0.54
▸ POLB P06746 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TGM2 P21980 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23103755 0.90 MAPT (0.64) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL16888506 0.83 MAPT (0.73) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL25372420 0.82 MAPT (0.59) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL23497899 0.81 MAPT (0.68) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL17054802 0.81 MAPT (0.68) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL29744352 0.81 MAPT (0.68) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL23498290 0.81 MAPT (0.68) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL29744389 0.81 MAPT (0.68) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL19303256 0.81 MAPT (0.68) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL23089516 0.80 MAPT (0.62) MAPTRAB9ACHRNB2CHRNA4CHRNB4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078201-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-08-03 — — US disclosed
US-11021481-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-06-01 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11021481-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, PDXK, IP6K1 MAPT 3245/4885RAB9A 3143/4885CHRNB2 1400/4885
US-11078201-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, PDXK, IP6K1 MAPT 3099/4885RAB9A 3488/4885CHRNB2 1443/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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